(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone

C12H18N2O2 — CID 116706985

IUPAC(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1(OC)CCC1
InChIInChI=1S/C12H18N2O2/c1-3-8-14-9-7-13-11(14)10(15)12(16-2)5-4-6-12/h7,9H,3-6,8H2,1-2H3
InChIKeyKRGCJYOHVGJBIU-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.04
Rot. Bonds5

About (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone

(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 116706985) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
PubChem CID116706985
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1(OC)CCC1
InChIInChI=1S/C12H18N2O2/c1-3-8-14-9-7-13-11(14)10(15)12(16-2)5-4-6-12/h7,9H,3-6,8H2,1-2H3
InChIKeyKRGCJYOHVGJBIU-UHFFFAOYSA-N
XLogP2.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
CID 116749514
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
CID 116750447
(1-propylimidazol-2-yl)-(4-propylpiperidin-4-yl)methanone
CID 116569222
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 116750075
[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone
CID 116604170
cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
CID 103448076
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035
(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone (CID 116706985) is (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)C1(OC)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is KRGCJYOHVGJBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-8-14-9-7-13-11(14)10(15)12(16-2)5-4-6-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone?
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 116706985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).